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	hartrees
Energy at 0K	-3057.916295
Energy at 298.15K	-3057.920725
Nuclear repulsion energy	614.884945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	592	571	22.98
2	A₁	517	499	1.98
3	A₁	289	279	44.26
4	B₁	243	234	0.00
5	B₂	497	479	0.00
6	B₂	158	153	0.00
7	E	624	602	151.81
7	E	624	602	151.81
8	E	310	300	6.89
8	E	310	300	6.89
9	E	178	171	3.07
9	E	178	171	3.07

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.296
F2	0.000	0.000	-1.502
F3	0.000	1.831	0.088
F4	-1.831	0.000	0.088
F5	0.000	-1.831	0.088
F6	1.831	0.000	0.088

	Br1	F2	F3	F4	F5	F6
Br1		1.7980	1.8427	1.8427	1.8427	1.8427
F2	1.7980		2.4248	2.4248	2.4248	2.4248
F3	1.8427	2.4248		2.5893	3.6618	2.5893
F4	1.8427	2.4248	2.5893		2.5893	3.6618
F5	1.8427	2.4248	3.6618	2.5893		2.5893
F6	1.8427	2.4248	2.5893	3.6618	2.5893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	83.511	F2	Br1	F4	83.511
F2	Br1	F5	83.511	F2	Br1	F6	83.511
F3	Br1	F4	89.268	F3	Br1	F5	167.021
F3	Br1	F6	89.268	F4	Br1	F5	89.268
F4	Br1	F6	167.021	F5	Br1	F6	89.268

All results from a given calculation for BrF₅ (bromine pentafluoride)

using model chemistry: B3LYP/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Br	1.775
2	F	-0.309
3	F	-0.367
4	F	-0.367
5	F	-0.367
6	F	-0.367

	x	y	z	Total
	0.000	0.000	2.435	2.435
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for BrF5 (bromine pentafluoride)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for BrF₅ (bromine pentafluoride)